SCHEMBL14132002

SCHEMBL14132002

N=C(N)c1cccc(OCCNC(=O)c2ccc(C3=NCCN3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.69
PRSS1 P07477 7/20 0.59
PLG P00747 1/20 0.59
PROC P04070 1/20 0.59
KLK1 P06870 1/20 0.59
FDPS P14324 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL3898866 0.95 F10 (0.62) F10PRSS1PLGPROCKLK1
SCHEMBL14131760 0.94 F10 (0.66) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3898231 0.90 F10 (0.60) F10PRSS1PLGPROCKLK1
SCHEMBL14132304 0.82 F10 (1.00) F10PRSS1PLGPROCKLK1
SCHEMBL14132168 0.82 F10 (0.88) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3898545 0.81 F10 (0.60) F10PRSS1PLGPROCKLK1
SCHEMBL13901202 0.81 F10 (0.71) F10PRSS1PLGPROCKLK1
SCHEMBL3899391 0.80 F10 (0.46) F10PRSS1PLGPROCKLK1
SCHEMBL14132141 0.80 F10 (0.90) F10PRSS1PLGPROCKLK1
SCHEMBL14132167 0.79 F10 (0.88) F10PRSS1PLGPROCKLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed